SCHEMBL3513592

SCHEMBL3513592

O=C(CCO)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.82
JAK2 O60674 15/20 0.82
JAK1 P23458 8/20 0.76
CDK9 P50750 1/20 0.67
JAK3 P52333 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3512747 0.90 TYK2 (0.84) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3516651 0.90 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3512758 0.86 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514246 0.86 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513074 0.86 TYK2 (0.80) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3516861 0.83 TYK2 (0.77) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3517123 0.83 TYK2 (0.74) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3517196 0.83 TYK2 (0.74) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514461 0.83 TYK2 (0.77) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513814 0.83 TYK2 (0.77) TYK2JAK2JAK1CDK9JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459187-B Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2015-06-17 CN claimed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TYK2 21/4885JAK2 1/4885JAK1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.